Afatinib

CAS Registry Number®

850140-72-6

CAS Name

Afatinib

Molecular Formula

C24H25ClFN5O3

Molecular Mass

485.94

Cite this Page

Afatinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=850140-72-6 (retrieved 2024-11-21) (CAS RN: 850140-72-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

InChIKey

InChIKey=ULXXDDBFHOBEHA-CWDCEQMOSA-N

SMILES

N(C=1C2=C(C=C(O[C@H]3CCOC3)C(NC(/C=C/CN(C)C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4

Canonical SMILES

O=C(C=CCN(C)C)NC1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1OC4COCC4

Other Names for this Substance

  • 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-
  • (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
  • Afatinib
  • BIBW 2992
  • Tovok

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration